Model name: model_name=EAM_Dynamo_Marinica_2011_Fe__MO_255315407910_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.311687663197519
cohesive_energy=3.8792944251854573
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.01789221625071967
Energy: -0.2181891292606096
Energy: -7.949771063440966
Energy: -0.21818912926716985
Energy: -0.21818912926206283
Energy: 0.014137568350240055
Energy: -0.2181891292606096
Energy: 0.014137568350987425
Energy: -7.980038575855373
Energy: -0.21818912926131548
Energy: 0.01789221625071967
Energy: -0.21818912926276868
Energy: -0.21818912926206283
Energy: 0.014137568350987425
Energy: -0.21818912926496925
Energy: 0.014137568350240055

minimum gb energy = -7.980038575855373 eV
minimum distance =  2.33049300975912 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: -0.369256467725543
Energy: -0.6046661425743866
Energy: 0.2581013834818806
Energy: -0.6046661424339361
Energy: -0.2540633615361882
Energy: -0.36150124194022665
Energy: -0.2617651014078497
Energy: -0.361501241950197
Energy: -0.0410565742965528
Energy: -0.006803437802453425
Energy: -0.27947870969183214
Energy: -0.00680343780064063
Energy: -0.11945809494459886
Energy: -0.4447508704212441
Energy: -0.238075004827678
Energy: -0.4447508704266413
Energy: -0.1304337046023436
Energy: -0.12739162206351487
Energy: -0.13965144621450062
Energy: -0.12739162205898286
Energy: -0.2820777342920756
Energy: -0.32724561288117693
Energy: -0.13888921166905618
Energy: -0.3272456128838961
Energy: -0.2550479945640619
Energy: -0.027085637355169542
Energy: -0.2689514172576913
Energy: -0.027085637356075935
Energy: -0.18617736803603863
Energy: -0.6059791392901359
Energy: -0.021761485973760767
Energy: -0.606009106147372
Energy: -0.25914911324633694
Energy: -0.4410792551669244
Energy: -0.14277039641640185
Energy: -0.44107925282495775
Energy: -0.1213270379514555
Energy: -0.009783862654894473
Energy: -0.0855292151550688
Energy: -0.009783862655800871
Energy: -0.1413973559983326
Energy: -0.3629937821724764
Energy: -0.2601661251433998
Energy: -0.3629937821661316
Energy: 0.09786474236055401
Energy: -0.669621467799175
Energy: -0.25190858906511926
Energy: -0.6845799238260863
Energy: -0.25043246164783606
Energy: -0.1805367357388968
Energy: -0.2579679484758431
Energy: -0.18053673573708398
Energy: -0.2659309609063481
Energy: -0.15236442453455956
Energy: -0.18778486590108576
Energy: -0.15236442454452995
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Energy: -0.39423341198795175
Energy: -0.29165554571919156
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Energy: -0.12203488264580711
Energy: -0.5371394803573731
Energy: -0.28640347650478015
Energy: -0.5371394803528412
Energy: -0.2794996444284647
Energy: -0.0054612991489341395
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Energy: -0.0054612991489341395
Energy: -0.2611680649824327
Energy: -0.270807074268029
Energy: -0.2619085311660766
Energy: -0.27080707425896505
Energy: -0.044566636109224296
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Energy: -0.2728816851419611
Energy: -0.12989972812398393
Energy: -0.26254810447786475
Energy: -0.5096637550269565
Energy: -0.2615546478940312
Energy: -0.5096637587977353
Energy: -0.1332756245504821
Energy: -0.020423181450387753
Energy: -0.10904998699385499
Energy: -0.020423181442230175
Energy: -0.2585775361246636
Energy: -0.5484023240084246
Energy: -0.12462760470410177
Energy: -0.5484023240038927
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Energy: -0.16386348893091304
Energy: -0.10651671864859853
Energy: -0.12327043198453771
Energy: -0.023954416722779568
Energy: -0.28031973500950796
Energy: -0.023954416718247586
Energy: -0.27502747517084336
Energy: -0.33289789706466405
Energy: -0.2605071319842023
Energy: -0.33289789706466405
Energy: -0.13373740592890496
Energy: -0.15145444930651353
Energy: -0.15465899151065163
Energy: -0.15145444930923269
Energy: -0.16777203020712367
Energy: -0.32914887834066764
Energy: -0.24402462128028715
Energy: -0.32914887833885487
Energy: -0.015215214380169213
Energy: -0.005214800639131071
Energy: -0.2502137048067772
Energy: -0.005214800639131071
Energy: -0.2532198800981617
Energy: -0.3013800997755107
Energy: -0.11684696800987603
Energy: -0.3013800997773235
Energy: -0.3847464351548843
Energy: -0.7019743245681065
Energy: 0.03104468290602253
Energy: -0.7021043967282763
Energy: -0.3488369232340345
Energy: -0.35868886839961384
Energy: -0.25112916644277067
Energy: -0.3586888683968947
Energy: -0.11675299960126766
Energy: -0.013223003633173448
Energy: -0.26762724400498605
Energy: -0.013223003631360652
Energy: -0.1304594454812643
Energy: -0.4520819059073085
Energy: -0.23444771430906866
Energy: -0.4520819058919409

minimum gb energy = -0.7021043967282763 eV
minimum distance =  2.23945180584413 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: -0.3008269021325719
Energy: -0.07939085972826802
Energy: 0.38606486644928906
Energy: -0.07939085970656552
Energy: 0.05997183269662423
Energy: -0.30365988342826483
Energy: -0.10962128241067821
Energy: -0.30365990644545493
Energy: 0.07947143796134255
Energy: -0.17851694032831317
Energy: -0.08951682482570585
Energy: -0.17851694035828328
Energy: -0.02640599697925566
Energy: -0.28064995021212463
Energy: -0.12533611022026644
Energy: -0.28064995018732175
Energy: -0.02513430691439685
Energy: 0.07742873147798918
Energy: -0.013986130010399679
Energy: 0.07742873147592229
Energy: -0.025205592261497736
Energy: 0.10210299820251609
Energy: -0.0326991738144111
Energy: 0.10210299820354954
Energy: -0.010711421229426978
Energy: -0.298238221000583
Energy: -0.12275139939767225
Energy: -0.29823822105944275
Energy: 0.012701004253458615
Energy: -0.18810913391468256
Energy: 0.11211331564406922
Energy: -0.18810913392295023
Energy: -0.013939894651758203
Energy: -0.4226286191217997
Energy: -0.10960272831329163
Energy: -0.42262859582989926
Energy: -0.03656245751192637
Energy: -7.039205201858533
Energy: 0.2793233701278745
Energy: -7.295891307175523
Energy: -0.02224547792370239
Energy: -0.13097069479605536
Energy: -0.10840959060120378
Energy: -0.13098009834203192
Energy: -0.020403794276698153
Energy: 0.006415234402970296
Energy: -0.12923891717430983
Energy: 0.0064152344040037486
Energy: -0.22904454755224446
Energy: 0.055727774128146564
Energy: -0.0041635101905710984
Energy: 0.05572777412504621
Energy: -0.22901644847346816
Energy: 0.059754090361416164
Energy: -0.019841475249221488
Energy: 0.0597540903521151
Energy: -0.01827000387290648
Energy: 0.005441597660238817
Energy: -0.11022891527120596
Energy: 0.005441597665406079
Energy: -0.02321972423689147
Energy: -0.12940048740501536
Energy: -0.1075663967798491
Energy: -0.1292755338242776
Energy: -0.03650634381814652
Energy: -6.748867377428945
Energy: 0.14577788386166138
Energy: -7.0921157489883555
Energy: -0.014339205365581984
Energy: -0.43380832821744164
Energy: -0.10850805970192237
Energy: -0.4338083216630994
Energy: 0.01270988752296533
Energy: -0.1783902020282461
Energy: 0.04169770123632134
Energy: -0.1783902020365137
Energy: -0.011393521597083402
Energy: -0.2894229091011488
Energy: -0.11403724922814272
Energy: -0.28942290943894683
Energy: -0.024969100635510298
Energy: 0.10236856067626657
Energy: -0.034143706856622755
Energy: 0.10236856067730002
Energy: -0.02480181124373308
Energy: 0.0776824086544872
Energy: -0.012452008112906877
Energy: 0.07768240865758755
Energy: -0.026242216412094132
Energy: -0.2959399885491931
Energy: -0.12494063749857369
Energy: -0.2959399885254237
Energy: 0.08247213677412811
Energy: -0.17954441192344767
Energy: -0.11061178040805199
Energy: -0.17954441191936085
Energy: 0.060846004431728336
Energy: -0.34538452998690594
Energy: -0.10991446115031969
Energy: -0.3457242699910819
Energy: -0.30082690212947155
Energy: -0.07939085971586661
Energy: 0.38606486644928906
Energy: -0.07939085972310077
Energy: 0.05997183269765769
Energy: -0.3036599056179885
Energy: -0.10962128241171167
Energy: -0.3036599014250847
Energy: 0.07947143796336248
Energy: -0.17851694036551746
Energy: -0.129742903155666
Energy: -0.1785169403345139
Energy: -0.026405996981322566
Energy: -0.2806499502410613
Energy: -0.1360086114828167
Energy: -0.28064995020799083

minimum gb energy = -7.295891307175523 eV
minimum distance =  2.24442817362545 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: -0.16833066685937983
Energy: 0.26681928162324614
Energy: -7.768872934580854
Energy: 0.26681928162204477
Energy: 0.013972425472564864
Energy: 0.044613508048912266
Energy: -0.0012044456933295621
Energy: 0.044613508059724534
Energy: 0.149922243448981
Energy: -0.06497929019066029
Energy: 0.04715182145826222
Energy: -0.06509022673274655
Energy: 0.278869807712804
Energy: -0.1698111519479065
Energy: -0.0051024609292755286
Energy: -0.1697725573314686
Energy: -0.013795929842439159
Energy: -0.015298680781756918
Energy: 0.2500784130466414
Energy: -0.015308560161934057
Energy: 0.016735679964468463
Energy: -5.698822156925942
Energy: 0.02562520574051993
Energy: -5.678804999584307
Energy: 0.03034688383610599
Energy: -0.07288160636392581
Energy: -0.14581045930514447
Energy: -0.07321241112931265
Energy: -7.709429878583916
Energy: 0.25027005158804266
Energy: -0.03874364747695251
Energy: 0.2502700515904454
Energy: -0.14354197197461446
Energy: 0.09333834124918172
Energy: 0.006657752459026217
Energy: 0.09333834127320902
Energy: 0.04254516491161129
Energy: -6.6441728285817785
Energy: 0.10192524027823924
Energy: -6.665519843728147
Energy: 0.1372836852685735
Energy: -0.08352558717423099
Energy: 0.014396809860816236
Energy: -0.08373244994449779
Energy: -0.018242890876503538
Energy: -0.08313102866921288
Energy: 0.013793495064277902
Energy: -0.07341142088965673
Energy: 0.04847894260999913
Energy: -0.2498736456697342
Energy: 0.05640309485590619
Energy: -0.2376768950562766
Energy: -0.14143477714233169
Energy: -0.24927461336122056
Energy: 0.012333318381372775
Energy: -0.24927461448160157
Energy: -7.660147338762103
Energy: 0.25623309405033406
Energy: -0.046848794206096785
Energy: 0.2562330940515354
Energy: 0.0009484325952307705
Energy: -0.08835366812923272
Energy: -0.0077630102575287655
Energy: -0.0883088130947083
Energy: 0.13519814905471064
Energy: -5.692489924032313
Energy: 0.114049764729744
Energy: -5.526606317823759
Energy: -0.0048176894461305474
Energy: -0.06632723481164468
Energy: 0.279194473064149
Energy: -0.06632726111463288
Energy: 0.2469427137803228
Energy: -0.17434949488088497
Energy: -0.015779844493319376
Energy: -0.1306986091861051
Energy: 0.02489780940045493
Energy: -0.2805222695552678
Energy: 0.013893106726503427
Energy: -0.2855068131301849
Energy: -0.0595757186351027
Energy: 0.03810583452140644
Energy: 0.004272758002160375
Energy: 0.03810583452140644
Energy: -0.18176919435005265
Energy: 0.25383387410152736
Energy: 0.27682109061174354
Energy: 0.25383387410393005
Energy: 0.014826164574098674
Energy: -0.0680088134173553
Energy: -0.005350873122785914
Energy: -0.0680088134509389
Energy: 0.1369412250972176
Energy: 0.16344115484107888
Energy: 0.04272373201703408
Energy: 0.16344115484588434
Energy: -0.0012967227993433785
Energy: -0.27727592173955723
Energy: -0.006511880056296451
Energy: -6.718180054615764

minimum gb energy = -7.768872934580854 eV
minimum distance =  2.31486001967008 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.12328736400500835
Energy: 0.35581625771858416
Energy: -6.441238631401678
Energy: 0.35581625771858416
Energy: 0.007361450766792793
Energy: -5.220100879594218
Energy: 0.35706127096189594
Energy: -5.116649552259063
Energy: 0.2661372439800476
Energy: 0.3331093192407086
Energy: 0.37150050056113737
Energy: 0.33311406851488584
Energy: 0.04961584717432299
Energy: -4.740626539828247
Energy: 0.09642116773205481
Energy: -0.09867510976871019
Energy: 0.0483370784788375
Energy: -5.391666415095023
Energy: 0.35729621357342944
Energy: -5.02306458043945
Energy: 0.2529063324751959
Energy: -5.833382735120173
Energy: 0.10892257109726948
Energy: 0.013653930757614695
Energy: 0.04657453724592742
Energy: -5.6756425223407545
Energy: 0.09773377933150783
Energy: -5.217355998902072
Energy: -6.10401796190144
Energy: 0.011727170947791509
Energy: 0.11139957301911049
Energy: -5.302227603429938
Energy: 0.05121574807461424
Energy: 0.17564484904086738
Energy: 0.35112667260226055
Energy: 0.17564484908816103
Energy: 0.041491842440165155
Energy: 0.029759665189179087
Energy: 0.09976937039702095
Energy: 0.030228218090293392
Energy: 0.15862392786717786
Energy: 0.16607988280149819
Energy: 0.22418817552680315
Energy: -5.110180989084534
Energy: 0.0506291349394938
Energy: -4.820263953087315
Energy: 0.0982387851362502
Energy: -5.041950497011592
Energy: 0.26517845931146905
Energy: 0.38002813980297934
Energy: -6.180601077062096
Energy: 0.38002813979867994
Energy: -3.8981987676050722
Energy: -5.920623508665007
Energy: 0.3491667395096987
Energy: -6.032655905608018
Energy: 0.26520155792843986
Energy: 0.3925503245850233
Energy: -5.946156392190214
Energy: 0.392550324582157
Energy: 0.06648506751260103
Energy: -5.219281382281657
Energy: 0.09810620805820809
Energy: -5.226840515364697
Energy: 0.15844179160256797
Energy: 0.1893675488651055
Energy: 0.37248876181225604
Energy: 0.18921420949842493
Energy: 0.04153985632144565
Energy: -5.600446432121255
Energy: 0.0995875133202877
Energy: 0.0506164701299658
Energy: 0.050398637209326726
Energy: -5.142139063192543
Energy: 0.36391412808607365
Energy: -5.160982230960659
Energy: -6.067870211974093
Energy: 0.019144629413874365
Energy: 0.11131848917728707
Energy: -5.0927286468172985
Energy: 0.04106141357196534
Energy: -0.15379906417107486
Energy: 0.09766082501534623
Energy: -0.15378887097703509

minimum gb energy = -6.441238631401678 eV
minimum distance =  2.26631892007429 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: -0.07824080986741705
Energy: -6.274222279953509
Energy: -7.334352711475696
Energy: 0.02199227569875971
Energy: 0.13329994289423708
Energy: 0.22024052808471642
Energy: 0.27900802839147676
Energy: 0.22024042551794912
Energy: 0.35123706219431505
Energy: -8.106467481192684
Energy: 0.3548798761834053
Energy: -7.971795800458378
Energy: -0.02574528417719215
Energy: 0.3574825316258798
Energy: 0.4015014426461784
Energy: 0.3574822539926313
Energy: 0.4587754826381923
Energy: -0.033261300822504496
Energy: 0.11920999826621484
Energy: -0.0334539190454538
Energy: 0.3564780369452539
Energy: -8.662139378340907
Energy: 0.29218162212068755
Energy: -8.782502996596262
Energy: 0.11282173791092945
Energy: 0.0529433279608441
Energy: 0.3563740036744713
Energy: 0.05294332794489289
Energy: 0.4067840822711945
Energy: 0.6912907784905327
Energy: -0.02280161592530502
Energy: 0.691290778492305
Energy: 0.3439310231600056
Energy: -6.115541738676176
Energy: 0.18409351573146174
Energy: -6.169598284492716
Energy: -0.027508600947136915
Energy: -8.704883339185034
Energy: 0.3565133727698532
Energy: -8.62719844963556
Energy: 0.3603516268047553
Energy: 0.35509493605622866
Energy: 0.5934671208820339
Energy: 0.3550949382104469
Energy: 0.19894137277478313
Energy: -8.540079577848052
Energy: 0.14956407032823776
Energy: -8.59164616292131
Energy: 0.7396585574535621
Energy: -8.33513466294885
Energy: 0.3707916946224174
Energy: -8.387262579793399
Energy: 0.21445756713141786
Energy: 0.36058237756458744
Energy: -0.05407627033589811
Energy: 0.36058237756104267
Energy: 0.12070574056379291
Energy: 0.07538417117913873
Energy: 0.47398165094767547
Energy: 0.07212347615074573
Energy: 0.16409398944518466
Energy: -8.517359057913032
Energy: 0.3565073204447677
Energy: -8.706456722497231
Energy: 0.23364947648728016
Energy: -0.024140972617471935
Energy: -0.06261713359361823
Energy: -0.024140972622789

minimum gb energy = -8.782502996596262 eV
minimum distance =  2.26586133002835 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.09843070048379551
Energy: -7.011879662949498
Energy: 0.781602707708163
Energy: -6.830034047975185
Energy: 0.39410900140051236
Energy: -0.1098546127541249
Energy: 0.25186282825460143
Energy: -0.10985461275211734
Energy: 0.4499470298698041
Energy: 0.29194001668194297
Energy: 0.2475722844597108
Energy: 0.2919400166809392
Energy: 0.23613440106054157
Energy: 0.19960055606627639
Energy: 0.39563316309029284
Energy: 0.19960055606627639
Energy: 0.00993985990215996
Energy: -0.07667978173929975
Energy: 0.2105486378920907
Energy: -0.07667978173929975
Energy: 0.0938692528035014
Energy: -0.27714541911327767
Energy: 0.5599575978112137
Energy: -0.2771454191303419
Energy: 0.24967623066696878
Energy: -0.10070081382379972
Energy: 0.24978494844245902
Energy: -0.10070081382480352
Energy: 0.5684041223798382
Energy: -0.224113752178785
Energy: 0.1284758334697687
Energy: -0.22411375216071697
Energy: 0.10957353276176982
Energy: 0.21433624313331398
Energy: 0.34575977447904516
Energy: 0.2143362431323102
Energy: 0.2960828766439856
Energy: -5.4720558482243185
Energy: 0.2508568691068364
Energy: -5.55741649819821
Energy: 0.2538565298760084
Energy: -0.4969297532521106
Energy: 0.4524738246820142
Energy: -0.49692975325913696
Energy: 0.13220159215216856
Energy: -0.10698474699016718
Energy: 0.11483897872831825
Energy: -0.10698474699217474
Energy: 0.5577917027216421
Energy: -0.43965916866534693
Energy: -0.09177396122467268
Energy: -0.4396591686984716
Energy: 0.25265310118869794
Energy: -6.869315374068818
Energy: 0.3168004441627481
Energy: -6.819872611376018
Energy: 0.2661437091575802
Energy: 0.04891311345125919
Energy: 0.10988857025310816
Energy: 0.04891311345226297
Energy: 0.460004163746366
Energy: -0.23981999893652858
Energy: 0.5878658283676199
Energy: -0.23981999891243794
Energy: 0.2517591896634136
Energy: -0.04238005697821995
Energy: 0.2636347312419828
Energy: -0.04238005699729173
Energy: 0.5061047782391142
Energy: 0.3162373380771925
Energy: 0.09383753060724304
Energy: 0.3162373380802038
Energy: 0.1889036088423813
Energy: -7.078453934127756
Energy: 0.3214800586265055
Energy: -6.944034203483921
Energy: 0.25407935068881043
Energy: 0.20432934378900033
Energy: 0.25238328775556945
Energy: 0.20432934378799655
Energy: 0.4068228502643316
Energy: 0.28230586870625585
Energy: 0.4356485453052404
Energy: 0.28230586870826335
Energy: 0.2502675072541704
Energy: -0.0627957827962815
Energy: 0.39954417473939546
Energy: -0.06279578279728527
Energy: 0.5413968293009715
Energy: -0.37245728070370715
Energy: 0.26849883898395444
Energy: -0.3724572806936694
Energy: 0.1184781527514155
Energy: -0.013760656151414107
Energy: 0.4325707745379573
Energy: -0.013760656148402772
Energy: 0.06837775197252102
Energy: 0.3171260937736419
Energy: 0.4412232541894996
Energy: 0.3171260937736419
Energy: 0.4786612813443823
Energy: -0.39353789742233997
Energy: 0.26781957189273703
Energy: -0.3935378975938947
Energy: 0.25097258793793203
Energy: -0.015297986280854691
Energy: -0.04531672603954028
Energy: -0.01529798628185847
Energy: 0.5624245014075057
Energy: -0.27991180574857305
Energy: 0.4274394803158248
Energy: -0.2799118057465655
Energy: 0.15962783845189907
Energy: 0.2035158860672514
Energy: 0.2546644128487345
Energy: 0.20351588606524382
Energy: 0.10901806800695707
Energy: -7.2357422828609685
Energy: 0.5627630957539511
Energy: -7.1814004410500285

minimum gb energy = -7.2357422828609685 eV
minimum distance =  2.28357706165427 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.3718291739218875
Energy: 0.3562614323651291
Energy: 0.6776782722838173
Energy: 0.3562625509415313
Energy: 0.28398669632870005
Energy: 0.5528741415292534
Energy: 0.5867710170126879
Energy: 0.5528741415315642
Energy: 0.37939599046194344
Energy: 0.3334104440604455
Energy: 0.6706879004737438
Energy: 0.3293233065498497
Energy: 0.3788525789283737
Energy: 0.3376339233149203
Energy: 0.5946544659837087
Energy: 0.3369063527946037
Energy: 0.2870720783081799
Energy: 0.5529299805286486
Energy: 0.6720479350564493
Energy: 0.5529299805263377
Energy: 0.3718291737740444
Energy: 0.3562864758208516
Energy: 0.86665131895863
Energy: 0.35649337871246967
Energy: 0.2846649982667382
Energy: 0.5528741415292534
Energy: 0.5662894144213424
Energy: 0.5528741415338752
Energy: 0.3794013226318628
Energy: 0.327542126110787
Energy: 0.6706879004714328
Energy: 0.32448653952890855
Energy: 0.37886488195218015
Energy: 0.3298068391953144
Energy: 0.6702850087129727
Energy: 0.3374856807487743
Energy: 0.28696399802712996
Energy: 0.5529299805309595
Energy: 0.6720479350587604
Energy: 0.5529299805240269
Energy: 0.37182917448085534
Energy: 0.3562954910409932
Energy: 0.8666513190718101
Energy: 0.3562783239902045
Energy: 0.2867045675995143
Energy: 0.5528741415292534
Energy: 0.670694675318836
Energy: 0.5528741415315642
Energy: 0.3794336798746176
Energy: 0.32565671608240226
Energy: 0.6706879004714328
Energy: 0.32815348658994387

minimum gb energy = 0.28398669632870005 eV
minimum distance =  2.2832873300236 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.16815251428589545
Energy: 0.16377153187622165
Energy: 0.8604961223919896
Energy: 0.1637715318813534
Energy: 0.24979230069758546
Energy: -0.1400951057903447
Energy: 0.2628310122863589
Energy: -0.1400951057894894
Energy: 0.4279133384149044
Energy: -0.17046332486532487
Energy: 0.33722054722763495
Energy: -0.17046332487216723
Energy: 0.46726230234454075
Energy: 0.11871842269234756
Energy: 0.22142427901795142
Energy: 0.11871842269149227
Energy: 0.48774165558820787
Energy: -5.535744211031843
Energy: 0.3429764888902932
Energy: -5.539987541702924
Energy: 0.27817243128602626
Energy: -0.0678303424785439
Energy: 0.5889847469470181
Energy: -0.0678303424793992
Energy: 0.26850863630873295
Energy: 0.06642914651727333
Energy: 0.26506746681517757
Energy: 0.06642914652497095
Energy: 0.26947001481721894
Energy: 0.058466789697434775
Energy: 0.4033324007721643
Energy: 0.058466789690592456
Energy: 0.37408889989243455
Energy: -0.14923841927439457
Energy: 0.19119903586261308
Energy: -0.14923841921965592
Energy: 0.4072607048681375
Energy: -0.16050706313628044
Energy: 0.25856832344635333
Energy: -0.1605070631405569
Energy: 0.26010705130289313
Energy: 0.1647472381698504
Energy: 0.6746776368201901
Energy: 0.16474723817840334
Energy: 0.32620842785947624
Energy: 0.021870622881373144
Energy: 0.36544756979361903
Energy: 0.021870622878807273
Energy: 0.4460793469246678
Energy: -0.0874486056635931
Energy: 0.2955853894072162
Energy: -0.08744860524807707
Energy: 0.5011736788164309
Energy: 0.22245354121796115
Energy: 0.10470741221501402
Energy: 0.2224535412222376
Energy: 0.23208784609014105
Energy: -0.13810499946063115
Energy: 0.3120034687304424
Energy: -0.13810499946234173
Energy: 0.38395594858145493
Energy: -0.03581525389112496
Energy: 0.6038593682791947
Energy: -0.03581525389540141
Energy: 0.2924517618459058
Energy: -0.1791330494847815
Energy: 0.28838095474870334
Energy: -0.179133049474518
Energy: 0.2638723851946303
Energy: 0.06689667773987068
Energy: 0.4822507875133127
Energy: 0.06689667773987068
Energy: 0.6478334975526364
Energy: -0.1576804117285939
Energy: 0.27565142424732153
Energy: -0.1576804097947805
Energy: 0.38607157014817245
Energy: -0.24550600227858554
Energy: 0.15407104019787618
Energy: -0.24550600228457262
Energy: 0.49208998827115547
Energy: 0.16364601458317546
Energy: 0.5037247600638728
Energy: 0.1636460145806096
Energy: 0.1125364316633027
Energy: -0.31358913576197855
Energy: 0.418006152158517
Energy: -0.3135891357405963
Energy: 0.264773841127458
Energy: -0.19462290578791988
Energy: 0.44226634302187584
Energy: -0.19462290580074923
Energy: 0.6016471528856561
Energy: 0.1599679536544732
Energy: 0.2513522269328186
Energy: 0.15996795365618377
Energy: 0.2566628605496582
Energy: 0.23607533323836605
Energy: 0.2513635942176237
Energy: 0.23607533324520835
Energy: 0.5076658255711568
Energy: -0.05498428843564406
Energy: 0.38045317313854005
Energy: -0.0549842884416311
Energy: 0.3794020213792768
Energy: -0.17802192322007782
Energy: 0.4456023954224241
Energy: -0.17802192424005142
Energy: -0.08040655491016008
Energy: 0.16955555794073246
Energy: 0.44752811054585145
Energy: 0.16955555794329832
Energy: 0.41785122247530276
Energy: -0.14280860601221548
Energy: 0.3708784764577373
Energy: -0.14280860590872527
Energy: 0.25114922639879134
Energy: 0.2891051560737655
Energy: 0.2565453156820706
Energy: 0.28910515607042214
Energy: 0.6664670228694529
Energy: 0.17535697332075145
Energy: 0.2471256627776054
Energy: 0.1753569733198962
Energy: 0.21906641612024197
Energy: -0.1172445696957327
Energy: 0.4296258938759987
Energy: -0.11724456969829859
Energy: 0.19486582759379206
Energy: -0.26619100146780966
Energy: 0.4172983177568895
Energy: -0.2661910014430062
Energy: 0.4751751504131796
Energy: 0.19530556877458521
Energy: 0.48094396152100055
Energy: 0.1953055687737299
Energy: 0.3255171762063955
Energy: -0.28782266433047854
Energy: 0.34093248047508945
Energy: -0.2878226643663231

minimum gb energy = -5.539987541702924 eV
minimum distance =  2.2578063223406 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.3886108503175562
Energy: 0.19219922965201072
Energy: -5.648885246733588
Energy: 0.19219923542072653
Energy: 0.29219981310619486
Energy: -5.732907647996486
Energy: 0.3818591711422695
Energy: -5.6330757543667245
Energy: 0.4151276280717481
Energy: 0.44472679580122143
Energy: 0.5144646677499691
Energy: 0.44472679580122143
Energy: 0.616303612907945
Energy: 0.15679371577230128
Energy: 0.39955272626415844
Energy: 0.15679371578587117
Energy: 0.6430062933627282
Energy: 0.34428100775318776
Energy: 0.5292450327673012
Energy: 0.34428100775318776
Energy: 0.40402225558165883
Energy: 0.4425404210999471
Energy: -5.442833739491119
Energy: 0.4425404211013041
Energy: 0.3567375579855837
Energy: 0.4046632007186144
Energy: 0.42372401476439614
Energy: 0.4046632007186144
Energy: 0.6469444006150592
Energy: -5.118478999785029
Energy: 0.6838561761979324
Energy: -4.8281318888891835
Energy: 0.8225084405759387
Energy: 0.3081334932679174
Energy: 0.37977329957818523
Energy: 0.3081334932679174
Energy: 0.41896366395954415
Energy: 0.4390350199076772
Energy: 0.41387451716643336
Energy: 0.43903501986561055
Energy: 0.646578739176981
Energy: 0.4288620870049733
Energy: 0.841225621382212
Energy: 0.4288620870049733
Energy: 0.544097813379567
Energy: -6.476963806286619
Energy: 0.6460591485609687
Energy: -6.906664627792927
Energy: 0.4093155062365505
Energy: 0.45833931816090695
Energy: 0.7326713824639509
Energy: 0.458339318162264
Energy: -5.506567448644553
Energy: 0.5234191234171055
Energy: 0.4070845792512781
Energy: 0.5234191234157793
Energy: 0.6357944327010786
Energy: -7.818088831323019
Energy: 0.5382787362123698
Energy: -7.915100542011166
Energy: 0.8452608635335525
Energy: 0.37014904523279984
Energy: 0.6382905191795086
Energy: 0.3701490452436558
Energy: 0.38974885194103087
Energy: 0.44517776598174963
Energy: 0.4264258354178526
Energy: 0.44517776598039266
Energy: 0.3900882597845726
Energy: 0.44244618480639475
Energy: 0.40148567022670095
Energy: 0.44244618480639475
Energy: 0.7018426628433446
Energy: 0.16574843240708093
Energy: 0.639737074977238
Energy: 0.16574843241522288
Energy: 0.392985109466854
Energy: -8.164532533182514
Energy: 0.3836296298411778
Energy: -8.181252197011133
Energy: -5.36650499131644
Energy: 0.44449295437169484
Energy: 0.411595404581666
Energy: 0.44449295437169484
Energy: 0.40017522316183785
Energy: 0.3539013114997595
Energy: 0.7397168988248658
Energy: 0.35390131149840254

minimum gb energy = -8.181252197011133 eV
minimum distance =  2.26956830723898 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.30383311892926296
Energy: 0.1486831792218112
Energy: 0.8772843581501378
Energy: 0.14868317923236612
Energy: 0.48967006625449255
Energy: -7.310471010288156
Energy: 0.27989288911551713
Energy: -7.100303231763826
Energy: 0.489103775381302
Energy: 0.02920126699378441
Energy: 0.41708488752038103
Energy: 0.029201265149424695
Energy: 0.5750413482060647
Energy: -0.013845689128315759
Energy: 0.3109336792355632
Energy: -0.01384568907174673
Energy: 0.46620470188276647
Energy: -0.08819170537964993
Energy: 0.37468192808978706
Energy: -0.0880749428542447
Energy: 0.4755661434232274
Energy: 0.1073687301817559
Energy: 0.7277211489012033
Energy: 0.10736873017791775
Energy: 0.24801988154643204
Energy: 0.3413155075723676
Energy: 0.39493765697637623
Energy: 0.3413155075675699
Energy: 0.4810142655007903
Energy: -0.02116019403195818
Energy: 0.4625402254142867
Energy: -0.021160203996132568
Energy: 0.6293035916137507
Energy: 0.3283108872646015
Energy: 0.32361614472214545
Energy: 0.32831088726843966
Energy: 0.47715374398120647
Energy: -0.20402842915987457
Energy: 0.2740827496602615
Energy: -0.2040284032024972
Energy: 0.5800877143480402
Energy: 0.1742177493069455
Energy: 0.4029791706952061
Energy: 0.17421774930790504
Energy: 0.29493588415214
Energy: -0.11733990085165182
Energy: 0.37952762728374206
Energy: -0.11733990078068975
Energy: 0.28249154452930536
Energy: 0.23785111043746385
Energy: 0.37798288791575607
Energy: 0.23785111043554477
Energy: 0.4290069222383414
Energy: 0.26882889983256153
Energy: 0.4483311764809414
Energy: 0.2688289096682453
Energy: 0.4990976557428672
Energy: 0.07338151655569773
Energy: 0.34533489139929247
Energy: 0.07338151654610237
Energy: 0.7218838427425179
Energy: 0.28978427471755447
Energy: 0.3593048362396377
Energy: 0.28978427471851403
Energy: 0.4835807395851633
Energy: 0.1438282157912755
Energy: 0.35742880874384336
Energy: 0.14382821579319455
Energy: 0.37419319544500607
Energy: 0.2553559087232737
Energy: 0.4112924521898353
Energy: 0.25535590875877656
Energy: 0.4778421053966754
Energy: 0.24175611492013882
Energy: 0.4081098018269521
Energy: 0.24175611492205792
Energy: 0.48595516385493787
Energy: -0.07423067049513263
Energy: 0.49452717536645663
Energy: -0.07423067039634401
Energy: 0.60547517958708
Energy: 0.2921505117306843
Energy: 0.3237466736019073
Energy: 0.29215051173836054
Energy: 0.4793106992424733
Energy: 0.0005941965194016613
Energy: 0.40663618994842204
Energy: 0.0005941970948617798
Energy: 0.2620582455098225
Energy: 0.3170862619453229
Energy: 0.39624159058530484
Energy: 0.31708626193956574
Energy: 0.318833253730239
Energy: 0.12702004118087218
Energy: 0.6907469624054213
Energy: 0.1270200411837508
Energy: 0.23175084302275134
Energy: -0.07890521512801821
Energy: 0.4114346325798431
Energy: -0.07896882391468464
Energy: 0.5580698768713295
Energy: 0.08459975282386446
Energy: 0.42156712548413344
Energy: 0.0845826417180031
Energy: 0.4639972741102561
Energy: -0.11915117822247283
Energy: 0.36610844943484544
Energy: -0.11915118323190682
Energy: 0.5700108214289088
Energy: -0.08093359742327302
Energy: 0.3124037818146222
Energy: -0.08093359520199
Energy: 0.459844491330074
Energy: 0.09405006254083872
Energy: 0.48259433489339093
Energy: 0.09405006254083872
Energy: 0.529605141294507
Energy: -0.34008856880893434
Energy: 0.437804703040108
Energy: -0.3400885689633325
Energy: 0.45968794784935546
Energy: 0.09404987070056176
Energy: 0.5654791405617137
Energy: 0.09404987070248082

minimum gb energy = -7.310471010288156 eV
minimum distance =  2.25360187110899 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.37342163614925916
Energy: 0.8525039415281271
Energy: -10.39647958585723
Energy: 0.852503941531061
Energy: 0.5978382790231307
Energy: 0.31012880515138963
Energy: 0.3248258160222944
Energy: 0.31012991669490925
Energy: 0.6245472398895202
Energy: 0.341376700247312
Energy: 0.5921070421819059
Energy: 0.3413846349199707
Energy: 0.4336922609349209
Energy: 0.5908165265422218
Energy: 0.4074446619972799
Energy: 0.5906122608544602
Energy: 0.3541853294501234
Energy: 0.6009446064038386
Energy: 0.5960073088341621
Energy: 0.6009446064038386
Energy: 0.8562316668461898
Energy: 0.4180829257022408
Energy: 0.8602545523603413
Energy: 0.4180829257019437
Energy: 0.5959962960534314
Energy: 0.6008885837595207
Energy: 0.35639056157754906
Energy: 0.600888583759855
Energy: 0.40654556123905106
Energy: 0.5841853458350507
Energy: 0.4338835591927571
Energy: 0.5841823014532035
Energy: 0.5918763495730701
Energy: 0.32872683794300955
Energy: 0.912547724872745
Energy: 0.31998434549459126

minimum gb energy = -10.39647958585723 eV
minimum distance =  2.2680011268732 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.005601144443205619
Energy: 0.14381224939388854
Energy: 0.6841768217693177
Energy: 0.14381224939298212
Energy: 0.1477134919501298
Energy: -0.04931184809515059
Energy: 0.25568185341649313
Energy: -0.04931184809515059
Energy: 0.28557444742065735
Energy: 0.2969800178192584
Energy: 0.5390917584707033
Energy: 0.2969800178201648
Energy: 0.3756468231000664
Energy: 0.25324456502885534
Energy: 0.1970555860685711
Energy: 0.2532445650279489
Energy: 0.17719345465454348
Energy: -0.049845978307484815
Energy: 0.5160334198530183
Energy: -0.049845978308350004
Energy: 0.5227440621959012
Energy: 0.12036231511116591
Energy: 0.2900604285088033
Energy: 0.12036231511479151
Energy: 0.2855794729542203
Energy: 0.00938568879245496
Energy: 0.24880532017835932
Energy: 0.009385688794267757
Energy: 0.28952452244354937
Energy: 0.23521012191321422
Energy: 0.2542614872905285
Energy: 0.2352101219141206
Energy: 0.18063012647155263
Energy: -5.814399032585081
Energy: 0.37056687343377515
Energy: -6.152186046030366
Energy: 0.17156827552592036
Energy: 0.029057696639448505
Energy: 0.35027809475431115
Energy: 0.029057696640354902
Energy: 0.3674562833750826
Energy: 0.13262891515958009
Energy: 0.24867338059900593
Energy: 0.1326289151568609
Energy: 0.25575604968595167
Energy: 0.15003059591995008
Energy: 0.21211990594643604
Energy: 0.15003059592081527
Energy: 0.529986720759526
Energy: 0.14281382128464667
Energy: 0.1938781807169199
Energy: 0.1428138212837403
Energy: 0.17578800656563592
Energy: 0.1942611117041495
Energy: 0.3560106505343599
Energy: 0.19426111170777513
Energy: 0.14785913930189581
Energy: 0.07767287186513058
Energy: 0.2501165772392898
Energy: 0.07767287186603697
Energy: 0.07817154706734228
Energy: 0.304782777759035
Energy: 0.5408435865473877
Energy: 0.30478277775631585
Energy: 0.35598686895334664
Energy: 0.20796062629691958
Energy: 0.26195165097446477
Energy: 0.20796062629601322
Energy: 0.1713406614702386
Energy: 0.13170271371252296
Energy: 0.3927299081359937
Energy: 0.13170271371252296
Energy: 0.12087156194096445
Energy: -0.04199573325178921
Energy: 0.2839997359026004
Energy: -0.041995733242725236
Energy: 0.2560047288745209
Energy: 0.07011001370468442
Energy: 0.24559660120208954
Energy: 0.07011001370559083
Energy: 0.3731951030264092
Energy: 0.07334675635792755
Energy: 0.1856862473199606
Energy: 0.07334675636155313
Energy: 0.1419071727711937
Energy: 0.05780024018419971
Energy: 0.17803742317638885
Energy: 0.057800240181480514
Energy: 0.25772433541410084
Energy: 0.2194334714045526
Energy: 0.40199982488149805
Energy: 0.2194334714036462
Energy: 0.16897023454654733
Energy: -7.154935492989695
Energy: 0.2244032361057938
Energy: -6.3275061781100845
Energy: 0.21327533616548844
Energy: -0.10017015775816257
Energy: 0.2572334314092035
Energy: -0.10017015774909861
Energy: 0.13282883202999898
Energy: 0.20948970084225407
Energy: 0.17504205342324325
Energy: 0.20948970084225407
Energy: 0.23918695811430657
Energy: 0.2489699068566514
Energy: 0.19604026968814203
Energy: 0.2489699068539322
Energy: 0.6811642615551537
Energy: 0.25540801669101193
Energy: 0.07733207364422098
Energy: 0.2554080166882927
Energy: 0.2544011343122598
Energy: 0.18194530317926602
Energy: 0.323145735442239
Energy: 0.1819453031783596
Energy: 0.5673055918451705
Energy: 0.16251473388888749
Energy: 0.1717264846242013
Energy: 0.16251473388711585
Energy: 0.24087040583862923
Energy: 0.19724610930462605
Energy: 0.425651541872695
Energy: 0.19724610929284292
Energy: 0.25877621180159727
Energy: 0.29883784664144536
Energy: 0.2868883342585736
Energy: 0.298837846640539
Energy: 0.1388612659911814
Energy: 0.31142137276736853
Energy: 0.3533401283908976
Energy: 0.31142137277008775

minimum gb energy = -7.154935492989695 eV
minimum distance =  2.24367175644403 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.33637661521679824
Energy: 0.24256824220022194
Energy: 0.7847864923595337
Energy: 0.2425682422077414
Energy: 0.03485815491970404
Energy: 0.5327539619074758
Energy: 0.11200242971994079
Energy: 0.5327539619049694
Energy: 0.27279012881599046
Energy: 0.23942609873304332
Energy: 0.7653094843600694
Energy: 0.23942609873053686
Energy: 0.26011632965925224
Energy: 0.31763908689525205
Energy: 0.1046116477139249
Energy: 0.31763908689149234
Energy: 0.26807380001644904
Energy: 0.27140433726886787
Energy: 0.5547733791949706
Energy: 0.2714043372701211
Energy: 0.2608341355074352
Energy: 0.3937042646186903
Energy: 0.10996638931685687
Energy: 0.3937042646111708
Energy: 0.25703573066966234
Energy: 0.16713157348924257
Energy: 0.23281543834430068
Energy: 0.16713157348798932
Energy: 0.25690501790473125
Energy: 0.40218061109068476
Energy: 0.263973603397091
Energy: 0.402180611101964
Energy: 0.3309368771191246
Energy: 0.09855688388429586
Energy: 0.4335328668605424
Energy: 0.09855708381845349
Energy: 0.3308975950782218
Energy: 0.10462312857938284
Energy: 0.513930364310247
Energy: 0.10462312857687635
Energy: 0.2565584976492486
Energy: 0.4041953693761736
Energy: 0.3148704271083744
Energy: 0.4041953693636412
Energy: 0.2570385197030536
Energy: 0.16730032308756557
Energy: 0.4997790670795981
Energy: 0.1673003230863123
Energy: 0.26103517534435805
Energy: 0.3811198761230809
Energy: 0.1097562651302896
Energy: 0.381119876113055
Energy: 0.26799989018756193
Energy: 0.27276482261139773
Energy: 0.5617029636220537
Energy: 0.2727648226139043
Energy: 0.25980796120894356
Energy: 0.31796076748902646
Energy: 0.11042940342640818
Energy: 0.3179607674902797
Energy: 0.27385015111379307
Energy: 0.23937105963385075
Energy: 0.3769693595682467
Energy: 0.23937105964011698
Energy: 0.03449617483137615
Energy: 0.5327469997074457
Energy: 0.11102645272411366
Energy: 0.5327469997049392
Energy: 0.33637661521554496
Energy: 0.2425682422014752
Energy: 0.7847864921328103
Energy: 0.24256824220648815
Energy: 0.034867807574015516
Energy: 0.5327539619024628
Energy: 0.11200242972620704
Energy: 0.5327539619049694
Energy: 0.27279012881599046
Energy: 0.23942609873053686
Energy: 0.7653094844039329
Energy: 0.23942609873053686
Energy: 0.26011632965173276
Energy: 0.31763908689525205
Energy: 0.10461164771267165
Energy: 0.3176390868939988
Energy: 0.26807380001770226
Energy: 0.27140433726761465
Energy: 0.5547733791937174
Energy: 0.27140433726761465
Energy: 0.2608341354986625
Energy: 0.39370426462113983
Energy: 0.10996638932312308
Energy: 0.3937042646149306
Energy: 0.25703573066339613
Energy: 0.16713157348924257
Energy: 0.232815291314968
Energy: 0.16713157348924257

minimum gb energy = 0.03449617483137615 eV
minimum distance =  2.25950632016361 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.007522978586175033
Energy: -0.0688463231258067
Energy: 0.6903299290177699
Energy: -0.0688463231258067
Energy: 0.29129250143901164
Energy: -0.29343186761598256
Energy: 0.050143473987704
Energy: -0.29343186779329666
Energy: 0.07987076601816134
Energy: 0.12010806507517792
Energy: 0.5651375599141857
Energy: 0.1201080650883462
Energy: 0.29061127129452
Energy: 0.09433748241140884
Energy: 0.1116944812084423
Energy: 0.0943374824199295
Energy: 0.22820585011168398
Energy: -0.1353382163165581
Energy: 0.069423682410845
Energy: -0.13533821632972637
Energy: 0.31110959512323394
Energy: -0.17651632472494536
Energy: 0.016452161705203038
Energy: -0.17651649589326576
Energy: 0.08834083913789889
Energy: 0.10127918390216831
Energy: 0.1484127429638357
Energy: 0.10127918390371751
Energy: 0.20251401664367794
Energy: 0.11431276280798444
Energy: 0.21835351825781912
Energy: 0.11431276280798444
Energy: 0.2742218060087365
Energy: -0.2974076811275984
Energy: 0.2759654962569754
Energy: -0.297407681132246
Energy: 0.15840900220283455
Energy: -0.08851646058309845
Energy: 0.061765925110447116
Energy: -0.08851646058464765
Energy: 0.12603733397004735
Energy: 0.05552979199333651
Energy: 0.1824464870587127
Energy: 0.05552979199333651
Energy: 0.08922206432564464
Energy: -0.27668208354917667
Energy: 0.18096013254554624
Energy: -0.27668208353445917
Energy: 0.3187064353739708
Energy: -0.17205930388802704
Energy: 0.03464316280119888
Energy: -0.17205930385626825
Energy: 0.18542393917053926
Energy: -0.027870539543572093
Energy: -0.022728161108540944
Energy: -0.027870539546670514
Energy: 0.20078006701262552
Energy: -0.02229630457434771
Energy: -0.017250234584026573
Energy: -0.02229630458054455
Energy: 0.12745436610811492
Energy: 0.011945371092572526
Energy: 0.5006269447753692
Energy: 0.011945371085601076
Energy: 0.15232003857957208
Energy: 0.01253225649682078
Energy: 0.041747322013126
Energy: 0.012532256489074725
Energy: 0.1174100825074971
Energy: -0.06446286079021551
Energy: 0.30153507139106384
Energy: -0.06446286079021551
Energy: 0.14588185044828153
Energy: 0.0744988823083523
Energy: 0.07469162402096888
Energy: 0.07449888231145073
Energy: 0.009310847062764797
Energy: 0.14166334829450097
Energy: 0.64530098539035
Energy: 0.14166334828985333
Energy: 0.3109377275863812
Energy: 0.0467945315434404
Energy: 0.03082106131018362
Energy: 0.04679453154421501
Energy: 0.042392768220593985
Energy: -0.113616255379303
Energy: 0.23964335667327508
Energy: -0.11361625537162737
Energy: 0.39738568873544844
Energy: -0.16517015683019518
Energy: 0.03297175885476827
Energy: -0.16517015017077316
Energy: 0.08628886256171854
Energy: 0.13128388899530125
Energy: 0.329500284691972
Energy: 0.13128388899530125
Energy: 0.43506770086479124
Energy: -0.05869600672690378
Energy: 0.11402819188751236
Energy: -0.05869600673077681
Energy: 0.04102353772324136
Energy: -0.2262444870177726
Energy: 0.14068165504942035
Energy: -0.2262444870154488
Energy: 0.3469727841901994
Energy: -0.16154175362904843
Energy: 0.07362804698464538
Energy: -0.16154175363214685
Energy: 0.08925395112453294
Energy: 0.010948803613641814
Energy: 0.20080714450065304
Energy: 0.010948803619838658
Energy: 0.04204189029249117
Energy: -0.036664056703856536
Energy: 0.18637444879075502
Energy: -0.036664056703856536
Energy: 0.03431424703035444
Energy: -0.14542259344567796
Energy: 0.264634767418774
Energy: -0.1454225934556774
Energy: 0.20107147538459486
Energy: -0.14156692735147905
Energy: 0.036175962289790344
Energy: -0.14156692735225368
Energy: 0.19756961677386156
Energy: 0.05773052678636873
Energy: 0.12590887153348698
Energy: 0.05773052679179096
Energy: 0.06958514348217877
Energy: -0.16025662065912924
Energy: 0.3528997418313611
Energy: -0.16025662065835464
Energy: 0.28477028698587353
Energy: -0.36559157687015625
Energy: -0.05561730371676804
Energy: -0.36559157692895583
Energy: 0.20618325792091688
Energy: -0.13677015028674466
Energy: 0.11483335901615634
Energy: -0.13677015028597006
Energy: 0.15083194390230498
Energy: 0.07859561604306713
Energy: 0.08503445104859417
Energy: 0.07859561604694015
Energy: 0.03380857850625821
Energy: 0.11624005814409645
Energy: 0.30714181388766976
Energy: 0.11624005814177263
Energy: -0.027766058544479017
Energy: -0.04078303911871318
Energy: 0.03950088103173105
Energy: -0.04078303911871318

minimum gb energy = -0.36559157692895583 eV
minimum distance =  2.23390579254335 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.3038426649452855
Energy: 0.2844366676305429
Energy: 0.9227505038430905
Energy: 0.2844366676305429
Energy: 0.29317635426518757
Energy: 0.1613731192721104
Energy: 0.31550726763126297
Energy: 0.1613731192721104
Energy: 0.3151906104948849
Energy: -8.859857183984452
Energy: 1.1237914562441906
Energy: -9.017654127842684
Energy: 0.4666115919041746
Energy: 0.1614327393943978
Energy: 0.31689039601904206
Energy: 0.16143273939642458
Energy: 0.2982858069981777
Energy: 0.3126535584774373
Energy: 0.3044951929401301
Energy: 0.3126535584774373
Energy: 0.28959150982679077
Energy: 0.28631008094657584
Energy: 0.30667344012575726
Energy: 0.286310080944549
Energy: 0.3153394892846684
Energy: 0.07622840180627698
Energy: 0.30338636186064816
Energy: 0.07622840180627698
Energy: 0.6817062302328186
Energy: -9.191060150366757
Energy: 0.3164756724532664
Energy: -9.639790032772405
Energy: 0.2970722109544902
Energy: 0.3127377125844449
Energy: 0.4975639925436511
Energy: 0.3127377125864716
Energy: 0.13326219234194325
Energy: 0.29921265398615665
Energy: 0.3050221350494785
Energy: 0.2992126539821491
Energy: 0.2978958167604023
Energy: 0.16227570856512213
Energy: 0.30114749767225707
Energy: 0.16227570856512213
Energy: 0.29712273002603223
Energy: 0.07139745357828045
Energy: 0.3173234587645529
Energy: 0.07139745357828045
Energy: 0.29683434108992374
Energy: 0.2941450607833392
Energy: 0.473212541578712
Energy: 0.2941450607833392
Energy: 0.30571499388371265
Energy: 0.3190586802731963
Energy: 0.30581568994299274
Energy: 0.31905868027522305
Energy: 0.6755774211181836
Energy: 0.29437622784058165
Energy: 0.2969006831882797
Energy: 0.29437622784058165

minimum gb energy = -9.639790032772405 eV
minimum distance =  2.25958257884666 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: -0.13343245615612256
Energy: 0.017781868069381493
Energy: 0.42840337061845163
Energy: 0.017781868072779462
Energy: -0.10944613400011056
Energy: -0.13528049155643124
Energy: 0.047317118265593865
Energy: -0.1352804915479363
Energy: -0.06662606827283406
Energy: 0.02219125559791302
Energy: 0.44520745498333103
Energy: 0.02219125559196657
Energy: -0.01600657449538568
Energy: -0.13593559944286202
Energy: 0.04655765654717079
Energy: -0.1359355994657211
Energy: -0.07691258299154752
Energy: -0.05061224225336246
Energy: -0.010039372893862517
Energy: -0.05061224226185739
Energy: 0.0955318923648268
Energy: -0.22580316098630906
Energy: 0.04065507023009286
Energy: -0.22580316099310502
Energy: -0.07241109427422401
Energy: -0.0478526256827764
Energy: 0.3434475909206386
Energy: -0.04785262568617437
Energy: 0.15690201381189525
Energy: -0.1344316423294229
Energy: 0.040850011864010514
Energy: -0.1344316423294229
Energy: -0.07324950942872287
Energy: -0.03559298681976277
Energy: 0.529337069283656
Energy: -0.03559298680617089
Energy: 0.44826232670418953
Energy: -0.13147262237510643
Energy: 0.04601057666936291
Energy: -0.1314726223776549
Energy: -0.07191896163886659
Energy: -0.1933082994379952
Energy: 0.2310644874727098
Energy: -0.19330829944054367
Energy: -0.007702989047122665
Energy: -0.22213599726518504
Energy: 0.04248289385853511
Energy: -0.22213599726178707
Energy: -0.13071795015137486
Energy: -0.12170773381532879
Energy: 0.22123559301419923
Energy: -0.12170773381702778
Energy: 0.5734463880992912
Energy: -0.2113978709320307
Energy: 0.04287751525811733
Energy: -0.2113978709456226
Energy: -0.0722375152481345
Energy: 0.02161528332177356
Energy: 0.16394653156588918
Energy: 0.02161528331073016
Energy: 0.12157099298036254
Energy: -0.22590528397992315
Energy: 0.044795996613845486
Energy: -0.22590528397822418
Energy: 0.14122239974218576
Energy: -0.02010157914646649
Energy: 0.04454846623357852
Energy: -0.02010157915411192
Energy: 0.1272860712779562
Energy: -0.06746096345861949
Energy: -0.004911683879219812
Energy: -0.06746096346541544
Energy: 0.13958110529000461
Energy: -0.18168415189367534
Energy: -0.005348680473027839
Energy: -0.1816841518800835
Energy: 0.13961158768406168
Energy: -0.2757631600065743
Energy: -0.005141669284642763
Energy: -0.2757632303846372
Energy: 0.12642462754028705
Energy: -0.060031007087013234
Energy: -0.0052989888575019385
Energy: -0.060031007055582015
Energy: 0.14202229300849203
Energy: -0.02007575518360792
Energy: 0.04447913788900028
Energy: -0.020075755187005894
Energy: 0.12098198958690971
Energy: -0.22617420614105938
Energy: 0.044771841231490986
Energy: -0.2261742061334139
Energy: -0.07213757907219528
Energy: 0.021512761906273777
Energy: 0.26626019724669314
Energy: 0.02151276190032733
Energy: 0.5735531154347514
Energy: -0.21128608042766361
Energy: 0.042886591792974216
Energy: -0.21128608042349337
Energy: -0.18395850464262312
Energy: -0.11665786103847615
Energy: 0.26697447452200085
Energy: -0.11665786103083071
Energy: -0.00908633119743697
Energy: -0.22557392860528394
Energy: 0.04254596034733406
Energy: -0.2255739286061334
Energy: -0.07192406977357582
Energy: -0.1931678447333961
Energy: 0.23024625239952654
Energy: -0.19316784473509507
Energy: 0.44825246187863815
Energy: -0.13160739885402872
Energy: 0.04594735568567273
Energy: -0.13160739881580155
Energy: -0.0729311477500923
Energy: -0.03651833014147857
Energy: 0.7085170049730977
Energy: -0.03651833014147857
Energy: 0.15682612762439693
Energy: -0.13539238715576776
Energy: 0.040682312479668886
Energy: -0.13539238716758342
Energy: -0.07230482766629356
Energy: -0.04540405449509128
Energy: 0.34337846861978055
Energy: -0.04540405450868316
Energy: 0.09470208024538021
Energy: -0.22724937059271846
Energy: 0.04072486807436981
Energy: -0.22724937057912656
Energy: -0.07332677482929371
Energy: -0.051879089643780685
Energy: 0.10093417136540482
Energy: -0.051879089604781256
Energy: -0.019605338895815224
Energy: -0.13640890370279016
Energy: 0.04647461800511388
Energy: -0.1364089036968437

minimum gb energy = -0.2757632303846372 eV
minimum distance =  2.24820287138393 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: -0.030757173198563897
Energy: -0.04197047367070628
Energy: 0.7432774273112693
Energy: -0.04197047326895375
Energy: 0.10588883371514972
Energy: 0.15051479385167793
Energy: 0.22820828632906445
Energy: 0.15051479390572103
Energy: 0.12145732464975495
Energy: -0.07146926234540815
Energy: 0.8070488555074805
Energy: -0.07168302938139767
Energy: 0.22398962708614226
Energy: 0.24464907939368535
Energy: 0.22721135229228584
Energy: 0.24464907939076228
Energy: 0.2329070506672991
Energy: 0.1592951824290076
Energy: 0.2300132846366808
Energy: 0.15929518242462304
Energy: 0.3767012167326148
Energy: 0.15239297402964014
Energy: 0.22215386631824097
Energy: 0.15239297403402471
Energy: 0.10162334602804482
Energy: -8.117167383417975
Energy: 0.10319273154427058
Energy: -0.3917985861722249
Energy: 0.22419857072300808
Energy: -0.03997704088626649
Energy: -0.03251774978074147
Energy: -0.039977040906694586
Energy: 0.23192995062455948
Energy: 0.16031879884708708
Energy: 0.09282609619809923
Energy: 0.16031879884270248
Energy: 0.8038934551024806
Energy: 0.43144222096800133
Energy: 0.22502071297887277
Energy: 0.4314422209621552
Energy: 0.10117800935757813
Energy: -7.213917129278586
Energy: 0.22354398074997386
Energy: -7.304549996170638
Energy: 0.6447704356109374
Energy: -0.04227583504198187
Energy: 0.2286265603105825
Energy: -0.04235207201484634
Energy: 0.21168242788160424
Energy: 0.15883892896464252
Energy: 0.42011657375174655
Energy: 0.15883892896610408
Energy: 0.5967308327157214
Energy: -7.531157994724771
Energy: 0.22173325929424445
Energy: -7.471321487693556
Energy: -0.03752073935442496
Energy: -0.16601559348228612
Energy: 0.22104531231040078
Energy: -0.16601559552459733
Energy: -0.03366147522891203
Energy: -0.037507217510725346
Energy: 0.22982235965420325
Energy: -0.03732103315575427
Energy: 0.23011898514600407
Energy: 0.36112602412372974
Energy: 0.3754066002548448
Energy: 0.36112602412811434
Energy: 0.21704295876534951
Energy: -7.642687378461861
Energy: 0.22011728909960016
Energy: -7.68006196304899
Energy: 0.22310835597863807
Energy: -0.042639233548384434
Energy: 0.22432198982478016
Energy: -0.042625971145573795
Energy: 0.21838310850032278
Energy: -0.035346784156901484
Energy: 0.21094650947507013
Energy: -0.03543628551499863

minimum gb energy = -8.117167383417975 eV
minimum distance =  2.26296647289793 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: -0.26291574954979074
Energy: 0.21241294060964938
Energy: 0.4965494206127305
Energy: 0.21241294061307314
Energy: 0.29900181645929635
Energy: 0.13985779331513948
Energy: -0.0677048324672895
Energy: 0.13985779331742199
Energy: -0.06885959290762335
Energy: -0.08830498910215796
Energy: 0.5826490228506291
Energy: -0.08830498910215796
Energy: 0.03845943384148602
Energy: 0.1363759643093931
Energy: -0.0713365922928052
Energy: 0.13637596430830373
Energy: -0.06719864223851818
Energy: 0.21009686858629412
Energy: 0.16932356116836036
Energy: 0.21009686858515284
Energy: 0.13185261492085038
Energy: 0.11625809506368961
Energy: -0.06878341475966412
Energy: 0.11625809506368961
Energy: -0.06170450229348415
Energy: -0.08969167321063365
Energy: 0.030869778102444685
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Energy: -0.06797527371068578
Energy: -0.13350828769674045
Energy: -0.06910988135044495
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Energy: 0.3022699563537281
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Energy: 0.1295330739702199
Energy: 0.21282568183158582
Energy: -0.2635648795732343
Energy: 0.21282568183158582
Energy: -0.06797146136835287
Energy: 0.06504894484334389
Energy: 0.2976912522303932
Energy: 0.06504894484334389
Energy: 0.5138912067466258
Energy: 0.03989740034646319
Energy: -0.06784392652530422
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Energy: -0.06919876534321824
Energy: 0.14480791732138576
Energy: 0.04166149841140892
Energy: 0.14480791732138576
Energy: 0.35149860322246634
Energy: 0.20807729141242337
Energy: -0.06940971861906037
Energy: 0.20807729141356462
Energy: -0.06821443284055362
Energy: 0.06233833707383239
Energy: 0.1284874598797676
Energy: 0.062338337072691145
Energy: 0.03271730712293889
Energy: 0.0313385386927196
Energy: -0.053229277156602244
Energy: 0.0313385386927196
Energy: -0.06712951126799645
Energy: -0.12443177229335779
Energy: 0.2812252112280443
Energy: -0.12443177229335779
Energy: 0.2095420909276612
Energy: 0.09259135450435939
Energy: -0.06972115210520646
Energy: 0.09259135450550066
Energy: -0.26312636128949946
Energy: 0.28652005144576637
Energy: 0.12713144409376
Energy: 0.2865200514503314
Energy: 0.6642693793891657
Energy: -0.010222409119744291
Energy: -0.07033870805260367
Energy: -0.010222409118603034
Energy: -0.06743919472661096
Energy: 0.12753545968669083
Energy: 0.24542989990247505
Energy: 0.12753545968897337
Energy: -0.053853460496720885
Energy: 0.10637835259115941
Energy: -0.06931584431311064
Energy: 0.10637835259115941
Energy: -0.06884972777317105
Energy: 0.21552361458957497
Energy: 0.3535696358166
Energy: 0.21552361458843375
Energy: 0.12820144225049812
Energy: 0.05705927997682021
Energy: -0.06832037044659521
Energy: 0.05705927997682021
Energy: -0.06332540007187172
Energy: -0.037642039843885644
Energy: 0.43875316950989174
Energy: -0.03764203984274438
Energy: 0.12600544172769051
Energy: -0.12706962316803655
Energy: -0.0654935347013335
Energy: -0.12706962316689527

minimum gb energy = -0.2635648795732343 eV
minimum distance =  2.24368425147333 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.5015641130649027
Energy: -0.0699573960803956
Energy: 0.3198081614512376
Energy: -0.0699573960785243
Energy: 0.399803410940481
Energy: -0.2562413160001977
Energy: -0.09729190725808572
Energy: -0.25624131599458383
Energy: -0.26049985698650047
Energy: 0.10364653796751065
Energy: 0.39927090377438557
Energy: 0.10364653796938193
Energy: 0.1782776962636704
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Energy: -0.11073642418045213
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Energy: -0.15893188598428323
Energy: 0.06877556512212937
Energy: -0.15893188599644661
Energy: -0.03229438371292319
Energy: -0.12432742972663863
Energy: -0.09989144505072363
Energy: -0.12432742972850991
Energy: -0.09654505461849668
Energy: -0.12270556314716818
Energy: -0.0346550743035391
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Energy: 0.04637629322438763
Energy: -0.19209940157641534
Energy: -0.10610647864632716
Energy: -0.19209940157173713
Energy: -0.09314248013885755
Energy: -0.20306489978354222
Energy: 0.27374814119206253
Energy: -0.20306489975921552
Energy: 0.12404288144931987
Energy: 0.10638849563208089
Energy: -0.26069088654123534
Energy: 0.10638849563484527
Energy: -0.09560974082872672
Energy: -0.24468796113107
Energy: 0.5032383244786942
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Energy: 0.041213115939803445
Energy: -0.06960041833197757
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Energy: -0.09367640554640234
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Energy: -0.10439228448959363
Energy: -0.06894058891830845
Energy: -0.10113037910355495
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Energy: 0.6806879917916661
Energy: -0.06329184514723389
Energy: 0.3058095787358753
Energy: -0.05911478231058007
Energy: -0.09654636369877491
Energy: -0.05911478231058007
Energy: -0.10522902763041911
Energy: -0.19968885449001303
Energy: 0.0501229013967904
Energy: -0.19968885449001303
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Energy: -0.09051001630679055
Energy: -0.22012466052368687
Energy: -0.2610636107963348
Energy: -0.04725870957087289
Energy: 0.16008979915067573
Energy: -0.04725870956806595
Energy: 0.6523793865215908
Energy: -0.18203797195425447
Energy: -0.09440789914804845
Energy: -0.18203797195799706
Energy: 0.5278844982942206
Energy: -0.07472132446802189
Energy: 0.04349334093386107
Energy: -0.07472132446989319
Energy: 0.43368025964568413
Energy: -0.21505993162667303
Energy: -0.10616455967069933
Energy: -0.21505993510850105
Energy: -0.26027777515788925
Energy: -0.05421571724079335
Energy: 0.13522021008357457
Energy: -0.05421571724172899
Energy: 0.47701708632549894
Energy: -0.18971147243378364
Energy: -0.08759978364726785
Energy: -0.18971147244309755
Energy: -0.10432469176572291
Energy: -0.21561558699607028
Energy: 0.20708657989021068
Energy: -0.21561556714115748
Energy: -0.11725461371587965
Energy: -0.05042092529133637
Energy: -0.10610049337860157
Energy: -0.050420925292272024
Energy: -0.09846832037699575
Energy: -0.09128590720902297
Energy: 0.3208716727185175
Energy: -0.09128590722118635
Energy: 0.05184673894432445
Energy: -0.3010362366772921
Energy: -0.08727298307679936
Energy: -0.3010362366744852
Energy: -0.09420258906266812
Energy: -0.21721487187687277
Energy: 0.1295856896386108
Energy: -0.21721487185165292
Energy: 0.04608728115117329
Energy: -0.03835648739332885
Energy: -0.2599071412718223
Energy: -0.03835648739332885

minimum gb energy = -0.3010362366772921 eV
minimum distance =  2.24223391662188 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.23129681853468181
Energy: -0.1968708952135856
Energy: 0.5981599774360438
Energy: -0.19687089521517084
Energy: 0.560730565751145
Energy: -0.1459699549745236
Energy: -0.27078915708522366
Energy: -0.1459699549753162
Energy: -0.4098948535760812
Energy: -0.12482444301857068
Energy: 0.6074858252072733
Energy: -0.12482444301857068
Energy: 0.2897793689607736
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Energy: -0.17613080240576454
Energy: -0.2761646568796357
Energy: -0.15288655833777953
Energy: -0.03968843779980627
Energy: -0.15288655833777953
Energy: 0.08740425851498694
Energy: -0.13444856519893902
Energy: -0.27194300435072993
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Energy: -0.2732800750010112
Energy: -0.23694848504968238
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Energy: -0.23694848504730454
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Energy: -0.27291634436852835
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Energy: -0.2794406030432594
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Energy: -0.2690725021492697
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Energy: -0.02938108101576807
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Energy: -0.27442537772294356
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Energy: -0.41858953398672316
Energy: -0.3161051889229456
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Energy: 0.22445720886597476
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Energy: -0.27319725403534995
Energy: -0.21000315759405225
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Energy: -0.1496203079500416
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Energy: -0.14962030795162687
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Energy: -0.2797090567137422
Energy: -0.13510954218490562
Energy: -0.27091485435088447
Energy: -0.3755410533489077
Energy: 0.2272260505455267
Energy: -0.3755410533497003
Energy: -0.16785236322948002
Energy: -0.26500626031414887
Energy: -0.2788041520431234
Energy: -0.26500626031414887
Energy: -0.20020847782990966
Energy: -0.15242431831507106
Energy: 0.05230687220497855
Energy: -0.15242431831586367
Energy: -0.02775971954073945
Energy: -0.11772015541044868
Energy: -0.2788944023937019
Energy: -0.11772015541203393
Energy: -0.2690593196432176
Energy: -0.340163363384772
Energy: 0.2695218941252682
Energy: -0.3401633633871499

minimum gb energy = -0.4186592899192833 eV
minimum distance =  2.24615292144923 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.20540350154315784
Energy: -0.1747013988704176
Energy: 0.36751171280922296
Energy: -0.17470139887247996
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Energy: -0.16495376306455142
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Energy: -0.22177201096069837
Energy: -0.13593296040382702
Energy: -0.2217720109627607
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Energy: -0.16472072465401716
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Energy: -0.16472072465332974
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Energy: -0.16068938566925367
Energy: -0.13534225127373598
Energy: -0.16068938566856622
Energy: -0.13611405940976426
Energy: -0.1771116761869005
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Energy: -0.17711167614431034
Energy: -0.01641070523218587
Energy: -0.26905520817183093
Energy: -0.137217181958087
Energy: -0.2690552081711435
Energy: -0.1325660540697818
Energy: -0.15059804553500136
Energy: 0.14684531685038718
Energy: -0.1505980455322516
Energy: 0.11426778257057983
Energy: -0.16103915166760555
Energy: -0.25201305860553724
Energy: -0.16103915166894917
Energy: -0.13670249888640437
Energy: -0.15836679430458897
Energy: 0.48131317961384595
Energy: -0.15836679430596387

minimum gb energy = -0.4082535269343811 eV
minimum distance =  2.23771530673573 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.020293377175613223
Energy: 0.09729116469317738
Energy: -7.175872902838519
Energy: 0.09729116469317738
Energy: 0.31077766190763145
Energy: -0.7819323670397853
Energy: -0.7833400723206295
Energy: -0.7819323670402845
Energy: 0.020293377175613223
Energy: 0.09729116469473342
Energy: 0.3110364715523353
Energy: 0.09729116469420497
Energy: 0.310777661908659
Energy: -0.7819323670382293
Energy: -0.7833400723237416
Energy: -0.7819323670402845
Energy: 0.020293377175613223
Energy: 0.09729116469370584
Energy: 0.31103647155647496
Energy: 0.09729116469370584
Energy: 0.3107776619091582
Energy: -0.7819323670408129
Energy: -0.783340072323213
Energy: -0.7819323670423397

minimum gb energy = -7.175872902838519 eV
minimum distance =  2.31326049316163 Angstroms
sigma value = 1